SCHEMBL12365864

SCHEMBL12365864

COC(=O)c1ccc2c(c1)C(c1cc(F)ccc1Cl)=CCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 8/20 0.45
▸ ALDH1A1 P00352 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PARP1 P09874 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ MAPT P10636 5/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ TNF P01375 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ NR2F2 P24468 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ KLF5 Q13887 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12365312 0.91 MAPK14 (0.48) MAPK14ALDH1A1L3MBTL1PARP1KDM4E
SCHEMBL12365406 0.88 MAPK14 (0.49) MAPK14ALDH1A1PARP1KDM4EKDM4C
SCHEMBL12365271 0.87 MAPK14 (0.46) MAPK14ALDH1A1PARP1KDM4EKDM4C
SCHEMBL12389086 0.86 MAPK14 (0.45) MAPK14PARP1MAPTKMT2ASMN1; SMN2
SCHEMBL12365404 0.86 MAPK14 (0.54) MAPK14PARP1MAPTSMN1; SMN2LMNA
SCHEMBL12365870 0.86 MAPK14 (0.41) MAPK14ALDH1A1PARP1KDM4CMAPT
SCHEMBL13384414 0.85 MAPK14 (0.32) MAPK14KDM4C
SCHEMBL12365083 0.85 MAPK14 (0.48) MAPK14ALDH1A1PARP1KDM4EMAPT
SCHEMBL12365000 0.85 MAPK14 (0.43) MAPK14ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL12389781 0.84 MAPK14 (0.48) MAPK14ALDH1A1PARP1KDM4EMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — US disclosed
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E MAPK14 3304/4885ALDH1A1 934/4885L3MBTL1 4302/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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